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1015845-73-4 | 1H-Pyrazol-3-amine, 4-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 1015845-73-4 Catalog No: AG0004VD MDL No:MFCD19317394
Product Description
Catalog Number:
AG0004VD
Chemical Name:
1H-Pyrazol-3-amine, 4-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
1015845-73-4
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD19317394
IUPAC Name:
4-(4-tert-butylphenyl)-1H-pyrazol-5-amine
InChI:
InChI=1S/C13H17N3/c1-13(2,3)10-6-4-9(5-7-10)11-8-15-16-12(11)14/h4-8H,1-3H3,(H3,14,15,16)
InChI Key:
SELQUBRQCXVHRE-UHFFFAOYSA-N
SMILES:
Nc1n[nH]cc1c1ccc(cc1)C(C)(C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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